4-(4-Aminophenoxy)benzonitrile - ≥98% , CAS No.17076-69-6

CAS: 17076-69-6 Cat. No.: A182027 Formula: C₁₃H₁₀N₂O Peso molecolare: 210.2 Numero EC: 864-366-0

GRADE & PURITY ≥98%

Synonyms

SB79030 | SY183730 | DTXSID20168939 | Oprea1_738854 | 4-Amino-4'-cyanodiphenyl ether | EN300-56268 | SCHEMBL5464974 | STL573036 | D97544 | Z274410004 | Cambridge id 5128111 | Oprea1_492037 | 4-(4-Aminophenoxy)benzonitrile | AKOS000214959 | BS-27586 | MFCD

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SB79030 | SY183730 | DTXSID20168939 | Oprea1_738854 | 4-Amino-4'-cyanodiphenyl ether | EN300-56268 | SCHEMBL5464974 | STL573036 | D97544 | Z274410004 | Cambridge id 5128111 | Oprea1_492037 | 4-(4-Aminophenoxy)benzonitrile | AKOS000214959 | BS-27586 | MFCD

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)N

IUPAC Name

4-(4-aminophenoxy)benzonitrile

InChIKey

YDNICCZCAISDAG-UHFFFAOYSA-N

INCHI

1S/C13H10N2O/c14-9-10-1-5-12(6-2-10)16-13-7-3-11(15)4-8-13/h1-8H,15H2

Isomeri SMILES

C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)N

Peso molecolare

210.2

Reaxy-Rn

2110644

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2110644&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Benzonitriles Aniline and substituted anilines Nitriles Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Benzonitrile - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Nitrile - Carbonitrile - Ether - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 210.230 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 210.079 Da
• Monoisotopic Mass: 210.079 Da
• Topological Polar Surface Area: 59.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 254.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 17076-69-6, the molecular formula is C13H10N2O, and the molecular weight is 210.2 g/mol. InChIKey YDNICCZCAISDAG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.